Water → HCID 66732700, compound

HRID 1238235Notes

Reaction equation

HRID 1238235 reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH:12]2[CH2:13][CH2:14][C:15]3([CH2:16][C:17]([c:20]4[c:21]([NH:32][CH:33]5[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]5)[c:22]5[c:23]([n:24][cH:25]4)[n:26]([CH2:30][CH3:31])[n:27][c:28]5[CH3:29])=[N:18][O:19]3)[CH2:39][CH2:40]2)(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[Na:41][C:42]#[N:43].[OH2:44]>>[CH:12]1([C:42]#[N:43])[CH2:13][CH2:14][C:15]2([CH2:16][C:17]([c:20]3[c:21]([NH:32][CH:33]4[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]4)[c:22]4[c:23]([n:24][cH:25]3)[n:26]([CH2:30][CH3:31])[n:27][c:28]4[CH3:29])=[N:18][O:19]2)[CH2:39][CH2:40]1

Participants

5

Reactant 4

HCID 962WaterHCID 6228DimethylformamideHCID 86647604HCID 86647604, compoundHCID 178511850HCID 178511850, compound

Product 1

HCID 66732700HCID 66732700, compound

Sources & evidence

ORD record
ord-9caf4a7f1ec1419a83d29f6d5176b2c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…